General Information of the Compound
| Compound ID |
CP0466623
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| Compound Name |
US10028961, Compound 374
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| Structure |
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| Formula |
C21H25F6N7
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| Molecular Weight |
489.468
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| Canonical SMILES |
CC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C21H25F6N7/c1-19(22,23)15-11-28-10-14(31-15)16-32-17(29-12-2-6-20(24,25)7-3-12)34-18(33-16)30-13-4-8-21(26,27)9-5-13/h10-13H,2-9H2,1H3,(H2,29,30,32,33,34)
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| InChIKey |
IXEKFWPZLJDVJT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial